基本情報
- CAS
88-23-3- 標準SMILES
Nc1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
YCTAOQGPWNTYJE-UHFFFAOYSA-N- 分子式
- C6H6ClNO4S
- 平均分子量
- 223.63 g/mol
- 単同位体質量
- 222.97060635
概要
6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992)
名称と識別子
- 優先名称
- 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid
- IUPAC
- 3-amino-5-chloro-2-hydroxybenzenesulfonic acid
- 現地名
- 2-アミノ-4-クロロフェノール-6-スルホン酸
- 英語名
- 2-Amino-4-chlorophenol-6-sulfonic acid
- 分子式
- C6H6ClNO4S
- 分子量
- 223.63
名称と別名
名称をさらに表示
データベース識別子
- CAS
88-23-3- PubChem CID
- 6927
- DTXSID
DTXSID0024474- ChEMBL
CHEMBL3184757- UNII
- 83IP35P6EZ
- EC Number
- 201-813-5
- Nikkaji
- J28.729F
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 109 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 275
実験および物理化学的性質
物理化学的性質
- 比重(密度)
- 1.79 · 1.790±0.06 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- powder to crystal
- 酸解離定数(Pka)
- -1.53 · -1.53±0.50(Predicted)
- 色
- White to Almost white
- CAS データベース
- 88 · 88-23-3(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Hydroxy-5-chlorometanilic acid (88-23-3)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (4 of 111) of reports.
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全データ
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2922.29.8190
- risk_code
- 34
- 化審法
- (3)-2090
- hazard_code
- C
- safety_code
- 22-24/25-26-39
- hazard_class
- 6.1
- packing_group
- III
化学と産業
用途と製造
応用分野
一般的な説明Off-white solid.
調製方法
2-Amino-4-chlorophenol-6-sulfonic acid obtained from p-chlorophenol by sulfonation and nitration is reduced with iron and hydrochloric acid without being precipitated. After filtering from the iron sludge, the highly alkaline reduction liquor is concentrated by evaporation and decolorized with activated carbon. Upon acidification 3-amino-5-chloro-2-hydroxybenzenesulfonic acid precipitates. Yield 72 %, based on p-chlorophenol.
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